[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid

C7H10BNO3 — CID 67969224

IUPAC[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid
SMILESCC(O)c1ccc(B(O)O)cn1
InChIInChI=1S/C7H10BNO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-5,10-12H,1H3
InChIKeyWVNCMNXSDWSRLK-UHFFFAOYSA-N
MW166.97 g/mol
LogP-1.19
Rot. Bonds2

About [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid

[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid (PubChem CID 67969224) has the molecular formula C7H10BNO3 and a molecular weight of 166.97 g/mol. Its IUPAC name is [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid
PubChem CID67969224
Molecular FormulaC7H10BNO3
Molecular Weight166.97 g/mol
Exact Mass167.08
IUPAC Name[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid
SMILESCC(O)c1ccc(B(O)O)cn1
InChIInChI=1S/C7H10BNO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-5,10-12H,1H3
InChIKeyWVNCMNXSDWSRLK-UHFFFAOYSA-N
XLogP-1.19
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid (CID 67969224) is [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid is CC(O)c1ccc(B(O)O)cn1.
What is the InChIKey of [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid?
The InChIKey is WVNCMNXSDWSRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-5,10-12H,1H3.
What are the key properties of [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid?
[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid has a molecular weight of 166.97 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-hydroxyethyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 67969224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).